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Substance Name: Withastramonolide
RN: 66873-31-2
UNII: LGW57VCY6K
InChIKey: ZYXVOZNURJLMFP-BNNRDBEOSA-N

Molecular Formula

  • C28-H38-O7

Molecular Weight

  • 486.6012
 
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Names and Synonyms

Name of Substance

  • Withastramonolide

Synonyms

  • UNII-LGW57VCY6K
  • Withastramonolide
  • Withastramonolide (constituent of ashwagandha root) [DSC]

Registry Numbers

CAS Registry Number

  • 66873-31-2

FDA UNII

  • LGW57VCY6K

System Generated Number

  • 0066873312

Structure Descriptors

InChI

1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1

InChIKey

ZYXVOZNURJLMFP-BNNRDBEOSA-N

Smiles

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)O)C)CO